5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole

C20H21NO — CID 171457388

IUPAC5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2ncc(-c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C20H21NO/c1-14-5-7-16(8-6-14)19-21-13-18(22-19)15-9-11-17(12-10-15)20(2,3)4/h5-13H,1-4H3
InChIKeyNNZUJDNWHJONHV-UHFFFAOYSA-N
MW291.39 g/mol
LogP5.61
Rot. Bonds2

About 5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole

5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 171457388) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
PubChem CID171457388
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole
SMILESCc1ccc(-c2ncc(-c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C20H21NO/c1-14-5-7-16(8-6-14)19-21-13-18(22-19)15-9-11-17(12-10-15)20(2,3)4/h5-13H,1-4H3
InChIKeyNNZUJDNWHJONHV-UHFFFAOYSA-N
XLogP5.61
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.39
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methylphenyl)-2-phenyl-1,3-oxazole
CID 3946772
5-(4-iodophenyl)-2-(4-methylphenyl)-1,3-oxazole
CID 5027296
5-tert-butyl-2-(4-tert-butylphenyl)-1,3-oxazole
CID 101479492
methyl 4-[5-(4-tert-butylphenyl)-1,3-oxazol-2-yl]benzoate
CID 164863176
5-phenyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102265146
2-(4-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 102345414
[2-(4-tert-butylphenyl)-1,3-oxazol-5-yl]methanamine
CID 82081833
2-(4-tert-butylphenyl)-5-[3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 66603361
5-(4-tert-butyl-2,6-dimethylphenyl)-2-pyridin-4-yl-1,3-oxazole
CID 10380451
1-tert-butyl-4-methylbenzene
CID 163486601
imino-[4-[2-[4-(iminoazaniumylideneamino)phenyl]-1,3-oxazol-5-yl]phenyl]iminoazanium
CID 91738493
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole (CID 171457388) is 5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole is Cc1ccc(-c2ncc(-c3ccc(C(C)(C)C)cc3)o2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is NNZUJDNWHJONHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-14-5-7-16(8-6-14)19-21-13-18(22-19)15-9-11-17(12-10-15)20(2,3)4/h5-13H,1-4H3.
What are the key properties of 5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole?
5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 291.39 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 171457388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).